#########################
# Spectral peak lists #
#########################
save_spectral_peaks_1D_1H
_Spectral_peak_list.Sf_category spectral_peak_list
_Spectral_peak_list.Sf_framecode spectral_peaks_1D_1H
_Spectral_peak_list.Entry_ID bmse011739
_Spectral_peak_list.ID 1
_Spectral_peak_list.Sample_ID 1
_Spectral_peak_list.Sample_label $sample_1
_Spectral_peak_list.Sample_condition_list_ID 1
_Spectral_peak_list.Sample_condition_list_label $sample_conditions_1
_Spectral_peak_list.Experiment_ID 1
_Spectral_peak_list.Experiment_name '1D 1H'
_Spectral_peak_list.Number_of_spectral_dimensions 1
_Spectral_peak_list.Assigned_chem_shift_list_ID 1
_Spectral_peak_list.Details 'F1: 1H'
loop_
_Spectral_dim.ID
_Spectral_dim.Spectrometer_frequency
_Spectral_dim.Atom_type
_Spectral_dim.Atom_isotope_number
_Spectral_dim.Spectral_region
_Spectral_dim.Sweep_width
_Spectral_dim.Sweep_width_units
_Spectral_dim.Entry_ID
_Spectral_dim.Spectral_peak_list_ID
1 600.1728185 H 1 'Full H' 12.0157698570257 ppm bmse011739 1
stop_
loop_
_Spectral_peak_software.Software_ID
_Spectral_peak_software.Software_label
_Spectral_peak_software.Entry_ID
_Spectral_peak_software.Spectral_peak_list_ID
1 $software_topspin bmse011739 1
stop_
loop_
_Peak.ID
_Peak.Entry_ID
_Peak.Spectral_peak_list_ID
1 bmse011739 1
2 bmse011739 1
3 bmse011739 1
4 bmse011739 1
5 bmse011739 1
6 bmse011739 1
7 bmse011739 1
8 bmse011739 1
stop_
loop_
_Peak_char.Peak_ID
_Peak_char.Spectral_dim_ID
_Peak_char.Chem_shift_val
_Peak_char.Details
_Peak_char.Entry_ID
_Peak_char.Spectral_peak_list_ID
1 1 2.7166 Imp2 bmse011739 1
2 1 7.4334 m_2H bmse011739 1
3 1 4.0102 m_2H_Q1 bmse011739 1
4 1 1.6715 m_3H bmse011739 1
5 1 2.6028 DMSO bmse011739 1
6 1 2.0703 m_3H bmse011739 1
7 1 3.4318 m_4H bmse011739 1
8 1 7.1945 m_2H bmse011739 1
stop_
loop_
_Peak_coupling.ID
_Peak_coupling.Peak_ID
_Peak_coupling.Spectral_dim_ID
_Peak_coupling.Coupling_val
_Peak_coupling.Entry_ID
_Peak_coupling.Spectral_peak_list_ID
1 1 1 0.0000 bmse011739 1
2 2 1 5.6395 bmse011739 1
3 3 1 5.5386 bmse011739 1
4 4 1 6.0050 bmse011739 1
5 5 1 1.9532 bmse011739 1
6 6 1 4.9885 bmse011739 1
7 7 1 6.0742 bmse011739 1
8 8 1 7.3286 bmse011739 1
stop_
loop_
_Spectral_transition.ID
_Spectral_transition.Entry_ID
_Spectral_transition.Spectral_peak_list_ID
1 bmse011739 1
2 bmse011739 1
3 bmse011739 1
4 bmse011739 1
5 bmse011739 1
6 bmse011739 1
7 bmse011739 1
8 bmse011739 1
9 bmse011739 1
10 bmse011739 1
11 bmse011739 1
12 bmse011739 1
13 bmse011739 1
14 bmse011739 1
15 bmse011739 1
16 bmse011739 1
17 bmse011739 1
18 bmse011739 1
19 bmse011739 1
20 bmse011739 1
21 bmse011739 1
22 bmse011739 1
23 bmse011739 1
24 bmse011739 1
25 bmse011739 1
26 bmse011739 1
27 bmse011739 1
28 bmse011739 1
29 bmse011739 1
30 bmse011739 1
31 bmse011739 1
32 bmse011739 1
33 bmse011739 1
34 bmse011739 1
35 bmse011739 1
36 bmse011739 1
37 bmse011739 1
38 bmse011739 1
39 bmse011739 1
stop_
loop_
_Spectral_transition_char.Spectral_transition_ID
_Spectral_transition_char.Spectral_dim_ID
_Spectral_transition_char.Chem_shift_val
_Spectral_transition_char.Entry_ID
_Spectral_transition_char.Spectral_peak_list_ID
1 1 2.7166 bmse011739 1
2 1 7.4522 bmse011739 1
3 1 7.4497 bmse011739 1
4 1 7.4396 bmse011739 1
5 1 7.4271 bmse011739 1
6 1 7.4147 bmse011739 1
7 1 4.0240 bmse011739 1
8 1 4.0158 bmse011739 1
9 1 4.0038 bmse011739 1
10 1 3.9963 bmse011739 1
11 1 1.7065 bmse011739 1
12 1 1.6984 bmse011739 1
13 1 1.6858 bmse011739 1
14 1 1.6779 bmse011739 1
15 1 1.6649 bmse011739 1
16 1 1.6574 bmse011739 1
17 1 1.6445 bmse011739 1
18 1 1.6365 bmse011739 1
19 1 2.5963 bmse011739 1
20 1 2.5998 bmse011739 1
21 1 2.6029 bmse011739 1
22 1 2.6058 bmse011739 1
23 1 2.6093 bmse011739 1
24 1 2.0827 bmse011739 1
25 1 2.0791 bmse011739 1
26 1 2.0617 bmse011739 1
27 1 2.0578 bmse011739 1
28 1 3.4571 bmse011739 1
29 1 3.4500 bmse011739 1
30 1 3.4298 bmse011739 1
31 1 3.4270 bmse011739 1
32 1 3.4093 bmse011739 1
33 1 3.4065 bmse011739 1
34 1 7.2251 bmse011739 1
35 1 7.2126 bmse011739 1
36 1 7.2011 bmse011739 1
37 1 7.1952 bmse011739 1
38 1 7.1785 bmse011739 1
39 1 7.1640 bmse011739 1
stop_
save_